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Compound Detail

CHEMBL4302858

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C[C@@H](N[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1)c1cccc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302858
Phase Preclinical
Structure Type MOL
InChI Key NLDASACBFXWTIX-APWZRJJASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.5
MW (Da)
3.95
ALogP
5
HBA
2
HBD
69.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24N6
MW 384.49
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.56

Data from ChEMBL 36 via Core Engine